69325371 -OEChem-03192410033D 34 34 0 0 0 0 0 0 0999 V2000 1.0349 1.7060 0.8190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6818 -3.0170 0.0666 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2527 2.0736 -1.3564 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6565 -0.6581 -0.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5845 -0.6337 0.9844 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0813 -0.5590 0.4428 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8277 -0.6551 0.4556 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1144 -0.5609 -0.6844 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5699 0.5246 0.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3919 -1.8549 0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5288 -0.4239 -0.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8765 0.5046 -0.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6984 -1.8749 -0.4667 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4406 -0.6951 -0.5214 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3708 2.4224 -0.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1799 3.7012 0.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5632 -1.5796 -0.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4888 0.1686 -0.8102 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7264 -1.4933 1.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7409 0.2403 1.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1802 0.3615 1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2709 -1.3995 1.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0361 -1.4907 -1.2596 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9140 0.2662 -1.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6488 0.5139 0.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2512 -0.4290 -0.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7733 -1.2524 0.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4611 1.4195 -0.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1506 -2.8021 -0.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4577 -0.7104 -0.9017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2346 -3.7405 -0.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8929 3.4780 1.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7007 4.2476 -0.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6371 4.3222 0.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 2 10 1 0 0 0 0 2 31 1 0 0 0 0 3 15 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 12 2 0 0 0 0 10 13 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 14 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 M END > 69325371 > 0.8 > 1 66 13 8 56 62 46 57 19 4 22 10 61 71 31 51 32 20 9 44 34 35 3 29 47 67 24 54 23 60 45 63 39 43 40 28 30 55 65 36 41 15 58 2 33 49 27 7 14 69 16 48 5 42 59 6 53 26 68 11 52 37 38 12 64 21 50 18 17 70 25 > 16 1 -0.23 10 0.08 12 -0.15 13 -0.15 14 -0.15 15 0.66 16 0.06 2 -0.53 28 0.15 29 0.15 3 -0.57 30 0.15 31 0.45 5 0.14 7 -0.14 9 0.08 > 6 > 5 1 11 hydrophobe 1 2 donor 1 3 acceptor 4 4 5 6 8 hydrophobe 6 7 9 10 12 13 14 rings > 16 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 0421D23B00000001 > 32.6438 > 25.372 > 104564 63 18195817270993205980 11471102 20 18411136952564595883 11578080 2 17486468435339538432 116883 192 18124878945564380607 12654215 9 18334010622538243752 13134695 92 18412260657695658221 14251717 144 18411981381737025583 14648413 74 18047193243408630379 15210252 30 17822015276517587061 15848700 24 18411134727549795684 16945 1 18129116652804945778 17357779 13 18335127670997804069 20233049 118 18113614603456385308 20606313 2 18410011061078895763 20645477 70 18272369754971782711 21501502 16 17974858263735880034 221357 26 18336536137293628461 221490 88 18193282016634908563 22289505 5 18262507110042623061 22620623 9 17768554710624513572 23402539 116 18337950091339195406 2748010 2 18053120685626364202 3060560 45 18341326768752180943 5939293 188 18265888232208689200 6443956 14 18410856564351878237 7364860 26 18268147737520835377 7832392 63 18270675501752120239 81228 2 18117568327195731424 84936 182 17699004303899210673 > 311.66 6.8 3.32 0.9 11.23 2.81 0.05 -3.22 1.36 -1.42 0.01 0.04 0.16 0.15 > 629.187 > 181.3 > 2 5 10 $$$$